(2R,4S)-1-(2S)-Argatroban
[CAS# 189264-04-8]

Identification

• Name: (2R,4S)-1-(2S)-Argatroban
• Synonyms: (2R,4S)-1-{N5-(Diaminomethylene)-N2-[(3-methyl-1,2,3,4-tetrahydro-8-quinolinyl)sulfonyl]-L-ornithyl}-4-methyl-2-piperidinecarboxylic acid
• Molecular Formula: C₂₃H₃₆N₆O₅S
• Molecular Weight: 508.63
• CAS Registry Number: 189264-04-8
• EC Number: 687-698-6
• SMILES: C[C@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C

Properties

• Density: 1.5±0.1 g/cm³, Calc.^*
• Index of Refraction: 1.674, Calc.^*
• Boiling Point: 801.3±75.0 °C (760 mmHg), Calc.^*
• Flash Point: 438.4±37.1 °C, Calc.^*

^* Calculated using Advanced Chemistry Development (ACD/Labs) Software.

Safety Data

• Hazard Symbols: GHS07 Warning
• Risk Statements: H302-H312-H319-H332
• Safety Statements: P261-P264-P264+P265-P270-P271-P280-P301+P317-P302+P352-P304+P340-P305+P351+P338-P317-P321-P330-P337+P317-P362+P364-P501

Hazard Classification

Hazard	Class	Category Code	Hazard Statement
Acute toxicity	Acute Tox.	4	H302
Acute toxicity	Acute Tox.	4	H312
Eye irritation	Eye Irrit.	2	H319
Acute toxicity	Acute Tox.	4	H332